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METHYL-(1R,3R/1R,3S)-3-(3-ISOPROPYL-1-METHYL-2-OXOCYCLOPENTYL)-PROPANOATE
SpectraBase Compound ID 7Xu9JrNHMOt
InChI InChI=1S/C13H22O3/c1-9(2)10-5-7-13(3,12(10)15)8-6-11(14)16-4/h9-10H,5-8H2,1-4H3/t10?,13-/m1/s1
InChIKey YPRGDTBUBRRNGH-JLOHTSLTSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBzKhlJRh03
Name METHYL-(1R,3R/1R,3S)-3-(3-ISOPROPYL-1-METHYL-2-OXOCYCLOPENTYL)-PROPANOATE
Compound Number 35A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(2)10-5-7-13(3,12(10)15)8-6-11(14)16-4/h9-10H,5-8H2,1-4H3/t10?,13-/m1/s1
InChIKey YPRGDTBUBRRNGH-JLOHTSLTSA-N
Literature Reference Author E.DREGE,C.TOMINIAUX,G.MAORGANT,D.DESMAELE
Literature Reference Citation EUR.J.ORG.CHEM.,4825(2006)
Molecular Weight 226.316 g/mol
Sample ID 44290
Solvent CDCl3